logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01665810

 MMsINC code: MMs02301966
Type: Neutral
Formula: C24H30N2O2
SMILES:   O1CCN(CC1)C(C(N1CCCCC1)C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H30N2O2/c27-24(21-12-6-2-7-13-21)23(25-14-8-3-9-15-25)22(20-10-4-1-5-11-20)26-16-18-28-19-17-26/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/t22-,23-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=159.074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.516 g/mol  logS: -4.2991  SlogP: 3.8928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252736  Sterimol/B1: 3.1681  Sterimol/B2: 5.35343  Sterimol/B3: 6.14798
  Sterimol/B4: 7.43692  Sterimol/L: 14.6084 
 
 Surface and Volume Properties
  Accessible surface: 615.931  Positive charged surface: 441.953  Negative charged surface: 173.978  Volume: 387
  Hydrophobic surface: 591.504  Hydrophilic surface: 24.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02301967
NCID-ZINC01665810